Calculation of the refractive indices and relative densities in homologousseries of organic compounds

Citation
Bv. Ioffe et Ig. Zenkevich, Calculation of the refractive indices and relative densities in homologousseries of organic compounds, RUSS J PH C, 74(11), 2000, pp. 1915-1920
Citations number
13
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY
ISSN journal
00360244 → ACNP
Volume
74
Issue
11
Year of publication
2000
Pages
1915 - 1920
Database
ISI
SICI code
0036-0244(200011)74:11<1915:COTRIA>2.0.ZU;2-N
Abstract
It was shown that the dependences of the refractive indices n(D)(20) and re lative densities d(4)(20) for normal Linear homologues of a series on the n umber of carbon atoms in the molecule n(C) can be approximated by the fract ional power function y = an(C)(k) + b (k = -0.899 for n(D)(20) and -0.850 f or d(4)(20)). The limiting values of these functions at n(C) --> infinity, which are the same for all homologous series, correspond to a hypothetical compound (aperant) characterized by (n(D)(20))(infinity) = 1.475 +/- 0.003 and (d(4)(20))(infinity) = 0.857 +/- 0.008. The most important practical co nsequence of this concept is a new method for calculati ng the refractive i ndices and relative densities of members of a homologous series from the co rresponding constants for any other member of this series. This method is b ased on the relationship P-x (n(D)(20) or d(4)(20)) = (P-ref - b)(n(C), x/n (C, ref))(k) + b, where b = 1.475 and k = -0.899 for n(D)(20) and b = 0.857 and k = -0.850 for d(4)(20). The form of the equation is new, and the accu racy of calculations is unique (similar to0.06% for n(D)(20) and 0.12% for d(4)(20)).